N-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-bromo-3-methyl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(4-bromo-3-methylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-bromo-3-methylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(4-bromo-3-methyl-phenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H19BrN4O3S MolecularWeight: 463.34816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H19BrN4O3S/c1-12-10-14(5-6-15(12)20)21-19(28)22-18(25)13-4-7-16(17(11-13)24(26)27)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9H2,1H3,(H2,21,22,25,28)